| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050661
BDB050661
|
BDBM50273473
Cc1sc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
|
C22H26NO2S+ 368.522000 |
UFIQJARLKXIASU-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 7A, Lysine-specific demethylase 5A, Lysine-specific demethylase PHF2 |
BindingDB, PubChem
BindingDB:BDBM50273473; PubChem:CID145946830
|
Local ready
Direct docking supported
|
|
E3L050662
BDB050662
|
BDBM50273474
CCCCc1oc2ccccc2c1C(=O)c1cc(OC)c(OCCC[N+](C)(C)C)c(OC)c1
|
C27H36NO5+ 454.587000 |
QALQUZHMZUYBKH-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 5A, Lysine-specific demethylase PHF2, Lysine-specific demethylase 7A |
BindingDB, PubChem
BindingDB:BDBM50273474; PubChem:CID145946815
|
Local ready
Direct docking supported
|
|
E3L050663
BDB050663
|
BDBM50273475
CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1
|
C24H29NO3 379.500000 |
TXAGKIUQIJVRHA-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 5A, Lysine-specific demethylase 7A, Lysine-specific demethylase PHF2 |
BindingDB, PubChem
BindingDB:BDBM50273475; PubChem:CID145962553
|
Local ready
Direct docking supported
|
|
E3L050664
BDB050664
|
BDBM50273476
CN=C(c1ccc(OCCC[N+](C)(C)C)cc1)c1coc2ccccc12
|
C22H27N2O2+ 351.470000 |
VQHCHAZGMULRHS-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 7A, Lysine-specific demethylase PHF2, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50273476; PubChem:CID145947837
|
Local ready
Direct docking supported
|
|
E3L050665
BDB050665
|
BDBM50273477
CCCCc1oc2ccccc2c1C(=O)c1cc(F)c(OCCC[N+](C)(C)C)c(F)c1
|
C25H30F2NO3+ 430.515000 |
NDEJBVXPJIEIAT-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 7A, Lysine-specific demethylase 5A, Lysine-specific demethylase PHF2 |
BindingDB, PubChem
BindingDB:BDBM50273477; PubChem:CID145946931
|
Local ready
Direct docking supported
|
|
E3L050666
BDB050666
|
BDBM50273478
CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
|
C25H32NO3+ 394.535000 |
BWWOIWLUACFPEH-UHFFFAOYSA-N | O75151, P29375, Q6ZMT4 | Lysine-specific demethylase 5A, Lysine-specific demethylase 7A, Lysine-specific demethylase PHF2 |
BindingDB, PubChem
BindingDB:BDBM50273478; PubChem:CID145946229
|
Local ready
Direct docking supported
|
|
E3L050667
BDB050667
|
BDBM50273571
CCS(=O)(=O)Nc1ccc2c(c1)C(/C(=N/c1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2
|
C29H32N4O3S 516.667000 |
SGZZQKMOFHIDKW-SJCQXOIGSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50273571
|
Local ready
Direct docking supported
|
|
E3L050668
BDB050668
|
BDBM50273638
CN[C@@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C34H41N5O3 567.734000 |
KWCRPDVMOUTMME-XPSCAIQQSA-N | Q13490, Q96P09 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 8 |
BindingDB, PubChem
BindingDB:BDBM50273638; PubChem:CID25180312
|
Local ready
Direct docking supported
|
|
E3L050669
BDB050669
|
BDBM50273673
CN[C@@H](C)C(=O)N[C@H]1CNCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C27H35N5O3 477.609000 |
KMHMGJITTBRABL-AWDZXFJFSA-N | P98170, Q13490, Q96P09 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 8, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50273673; PubChem:CID25173742
|
Local ready
Direct docking supported
|
|
E3L050670
BDB050670
|
BDBM50273674
CN[C@@H](C)C(=O)N[C@H]1CN(C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C28H37N5O3 491.636000 |
LTSMFEKJLOPVQW-UQAQOTMJSA-N | Q13490, Q96P09 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 8 |
BindingDB, PubChem
BindingDB:BDBM50273674; PubChem:CID25180121
|
Local ready
Direct docking supported
|
|
E3L050671
BDB050671
|
BDBM50273680
Cc1cccc(Nc2cc(Cl)nc(SC(C)(C)C(=O)O)n2)c1C
|
C16H18ClN3O2S 351.859000 |
CWFCVRFNGHBTKX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273680; PubChem:CID11978570
|
Local ready
Direct docking supported
|
|
E3L050672
BDB050672
|
BDBM50273681
CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O
|
C18H22ClN3O2S 379.913000 |
CDBPVIZQDYDVOE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50273681; PubChem:CID24816384
|
Local ready
Direct docking supported
|
|
E3L050673
BDB050673
|
2-(4,6-Diphenethoxypyrimidin-2-ylthio)acetic acid
O=C(O)CSc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1
|
C22H22N2O4S 410.495000 |
DQEBGENLFNMXNZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273682; PubChem:CID25179516
|
Local ready
Direct docking supported
|
|
E3L050674
BDB050674
|
2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic acid
CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)O
|
C26H30N2O4S 466.603000 |
KYRBYBXVVWQIJQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273683; PubChem:CID25179907
|
Local ready
Direct docking supported
|
|
E3L050675
BDB050675
|
BDBM50273698
CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C29H37N5O4 519.646000 |
IYOZNYWYRADTNN-CTZQYXLCSA-N | P98170, Q13489, Q13490, Q96P09 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 8, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50273698; PubChem:CID25180313
|
Local ready
Direct docking supported
|
|
E3L050676
BDB050676
|
BDBM50273699
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccccc2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C35H41N5O4 595.744000 |
YBYZHVZWINISJO-XPSCAIQQSA-N | P98170, Q13489, Q13490, Q96P09 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 8 |
BindingDB
BindingDB:BDBM50273699
|
Local ready
Direct docking supported
|
|
E3L050677
BDB050677
|
5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one
O=C1Cc2cc(-c3cccnc3)ccc2N1
|
C13H10N2O 210.236000 |
LRXSVYIRRDZVNQ-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50273706; PubChem:CID12050204
|
Local ready
Direct docking supported
|
|
E3L050678
BDB050678
|
Isolissoclinotoxin B
COc1cc(CCN(C)C)c2c(c1O)SSSSS2
|
C11H15NO2S5 353.581000 |
GDCGVOKHENOREK-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50273917; PubChem:CID44588489
|
Local ready
Direct docking supported
|
|
E3L050679
BDB050679
|
N,N-dimethyl-5-methylvaracin
COc1c(C)c(CCN(C)C)c2c(c1OC)SSSSS2
|
C13H19NO2S5 381.635000 |
SMUYRADPIHAZBL-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50273918; PubChem:CID44588490
|
Local ready
Direct docking supported
|
|
E3L050680
BDB050680
|
BDBM50273919
CSc1c(CC=N)c2c3c(ccnc3c1O)-c1ccccc1N2
|
C18H15N3OS 321.405000 |
QZURCMZUPZIOHH-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50273919; PubChem:CID91934893
|
Local ready
Direct docking supported
|